SEQ2FUN

BioLiP

PDB CCD ID: A1H6L
Number of entries in BioLiP: 4
Chemical formula: C23 H19 N3 O
InChI: InChI=1S/C23H19N3O/c27-22-15-18-14-17(20-8-11-24-23-21(20)9-12-25-23)7-6-16(18)10-13-26(22)19-4-2-1-3-5-19/h1-9,11-12,14H,10,13,15H2,(H,24,25)
InChIKey: ZOBOJXLVNHCFCC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)N2CCc3ccc(cc3CC2=O)c4ccnc5c4cc[nH]5
CACTVS 3.385O=C1Cc2cc(ccc2CCN1c3ccccc3)c4ccnc5[nH]ccc45
Name:8-(azaindolyl)-benzoazepinone;
3-phenyl-7-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-2,5-dihydro-1~{H}-3-benzazepin-4-one
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).